>compound DL-Mandelic acid_DL-Mandelic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C8H8O3
#smiles OC(=O)C(O)c(c1)cccc1
#RECORD LC-ESI-QTOF_train_data/PR100874.txt
>charge -1
>ionization [M-H]-
>parentmass 151.03954

>collision 5-60
107.0502 35.64
148.9006 2.908
151.0395 84.95

